OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of glutathione


Physiochemical Properties
Molecular Weight 307.328 nRot 9
Heavy Atom Molecular Weight 290.192 nRig 4
Exact Molecular Weight 307.084 nRing 0
Solubility: LogS -1.235 nHRing 0
Solubility: LogP -3.447 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 39.0475
nHD 6 BPOL 23.5565
Medicinal Chemistry Properties
QED 0.263
Synth 3.005
Natural Product Likeliness 0.482
NR-PPAR-gamma 0.021
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.03
HIA 0.117
CACO-2 -6.859
Distribution
MDCK 0.000501794
BBB 0.051
PPB 0.125173
VDSS 0.34
Metabolism
FU 0.855747
CYP1A2-inh 0.001
CYP1A2-sub 0.008
CYP2c19-inh 0.037
CYP2c19-sub 0.031
CYP2c9-inh 0.123
CYP2c9-sub 0.451
CYP2d6-inh 0.004
CYP2d6-sub 0.124
CYP3a4-inh 0.008
CYP3a4-sub 0.002
Excretion
CL 2.605
T12 0.802
Toxicity
hERG 0.013
Ames 0.85
ROA 0.021
SkinSen 0.209
Carcinogencity 0.047
EI 0.032
Respiratory 0.299
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.722195
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